Adicillin
Representations & DB's id
| ||
| ChEBI: | CHEBI:18203 | |
|---|---|---|
| ChEMBL: | CHEMBL2023705 | |
| PubChem: | 71724 | |
| IUPAC: | (2S,5R,6R)-6-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1 | |
| Standard InChI Key: | MIFYHUACUWQUKT-GPUHXXMPSA-N | |
| SMILES: | OC(=N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)CCC[C@H](C(=O)O)N | |
Molecular propeties
| ||
| AlogP: | -0.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 359.12 | |
| Topological polar surface area: | 175 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.714 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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